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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AICAR transformylase' and Ligand = 'BDBM50022739'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AICAR transformylase


(Homo sapiens (Human))
BDBM50022739
PNG
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of AICAR formyltransferase


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair